General Information of the Compound
| Compound ID |
CP0100951
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| Compound Name |
6-Butyl-4,10-dioxo-1,4,7,10-tetrahydro-[1,7]phenanthroline-2,8-dicarboxylic acid
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| Synonyms |
46C1PX266N
54867-56-0
6-Butyl-1,4,7,10-tetrahydro-4,10-dioxo-1,7-phenanthroline-2,8-dicarbonsaeure
6-butyl-4,10-dihydroxy-1,7-phenanthroline-2,8-dicarboxylic acid
6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
AC1L2HFD
AC1Q5RDE
BDBM50020876
BUFROLIN
Bufrolin
Bufrolin [INN:BAN]
Bufroline
Bufroline [INN-French]
Bufrolino
Bufrolino [INN-Spanish]
Bufrolinum
Bufrolinum [INN-Latin]
CHEMBL150764
CTK1H2392
DTXSID60203353
ICI-74917
SCHEMBL2109492
UNII-46C1PX266N
ZINC4215124
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| Structure |
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| Formula |
C18H16N2O6
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| Molecular Weight |
356.334
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| Canonical SMILES |
CCCCc1cc2c(O)cc(nc2c2c(O)cc(nc12)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
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| InChIKey |
BQVIONBNDNFCCP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( BUFROLIN )
| Drug Name | BUFROLIN | ||
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